5-(propylamino)-N-thiophen-3-ylpyridine-2-carboxamide

C13H15N3OS — CID 104641679

IUPAC5-(propylamino)-N-thiophen-3-ylpyridine-2-carboxamide
SMILESCCCNc1ccc(C(=O)Nc2ccsc2)nc1
InChIInChI=1S/C13H15N3OS/c1-2-6-14-10-3-4-12(15-8-10)13(17)16-11-5-7-18-9-11/h3-5,7-9,14H,2,6H2,1H3,(H,16,17)
InChIKeyAERWPPOZKNZRGZ-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.22
Rot. Bonds5

About 5-(propylamino)-N-thiophen-3-ylpyridine-2-carboxamide

5-(propylamino)-N-thiophen-3-ylpyridine-2-carboxamide (PubChem CID 104641679) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 5-(propylamino)-N-thiophen-3-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(propylamino)-N-thiophen-3-ylpyridine-2-carboxamide
PubChem CID104641679
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name5-(propylamino)-N-thiophen-3-ylpyridine-2-carboxamide
SMILESCCCNc1ccc(C(=O)Nc2ccsc2)nc1
InChIInChI=1S/C13H15N3OS/c1-2-6-14-10-3-4-12(15-8-10)13(17)16-11-5-7-18-9-11/h3-5,7-9,14H,2,6H2,1H3,(H,16,17)
InChIKeyAERWPPOZKNZRGZ-UHFFFAOYSA-N
XLogP3.22
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(propylamino)-N-thiophen-3-ylpyridazine-3-carboxamide
CID 66353573
N-methyl-5-(propylamino)-N-(thiophen-3-ylmethyl)pyridine-2-carboxamide
CID 104640243
5-chloro-6-(propylamino)-N-thiophen-3-ylpyridine-3-carboxamide
CID 66355264
N-(3-fluorophenyl)-5-(propylamino)pyridine-2-carboxamide
CID 109179399
N-(1-methylpyrazol-4-yl)-5-(propylamino)pyridine-2-carboxamide
CID 104640241
N-(3-methyl-4-pyridinyl)-5-(propylamino)pyridine-2-carboxamide
CID 104641367
5-(butylamino)-N-(4-chlorophenyl)pyridine-2-carboxamide
CID 109180928
N-butan-2-yl-5-(propylamino)pyridine-2-carboxamide
CID 109179241
N-(2-propan-2-yloxyethyl)-5-(propylamino)pyridine-2-carboxamide
CID 104765582
N-(5-bromopyrazin-2-yl)-5-(propylamino)pyridine-2-carboxamide
CID 104641633
N-(2,5-difluorophenyl)-5-(propylamino)pyridine-2-carboxamide
CID 104639737
N-(4-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195830

Frequently Asked Questions

What is the IUPAC name of 5-(propylamino)-N-thiophen-3-ylpyridine-2-carboxamide?
The IUPAC name of 5-(propylamino)-N-thiophen-3-ylpyridine-2-carboxamide (CID 104641679) is 5-(propylamino)-N-thiophen-3-ylpyridine-2-carboxamide.
What is the SMILES notation for 5-(propylamino)-N-thiophen-3-ylpyridine-2-carboxamide?
The canonical SMILES for 5-(propylamino)-N-thiophen-3-ylpyridine-2-carboxamide is CCCNc1ccc(C(=O)Nc2ccsc2)nc1.
What is the InChIKey of 5-(propylamino)-N-thiophen-3-ylpyridine-2-carboxamide?
The InChIKey is AERWPPOZKNZRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-2-6-14-10-3-4-12(15-8-10)13(17)16-11-5-7-18-9-11/h3-5,7-9,14H,2,6H2,1H3,(H,16,17).
What are the key properties of 5-(propylamino)-N-thiophen-3-ylpyridine-2-carboxamide?
5-(propylamino)-N-thiophen-3-ylpyridine-2-carboxamide has a molecular weight of 261.35 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(propylamino)-N-thiophen-3-ylpyridine-2-carboxamide is sourced from PubChem (CID 104641679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).